Structure

Ethyl isonicotinoylacetate

CAS
26377-17-3
Catalog Number
ACM26377173
Category
Pyridines
Molecular Weight
193.2
Molecular Formula
C10H11NO3

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Specification

Melting Point
56-59 °C
What is the molecular formula of Ethyl isonicotinoylacetate?

Molecular Formula: C10H11NO3

When was Ethyl isonicotinoylacetate first created in the database?

Create Date: 2005-07-19

What is the molecular weight of Ethyl isonicotinoylacetate?

Molecular Weight: 193.20 g/mol

What is the IUPAC name of Ethyl isonicotinoylacetate?

IUPAC Name: ethyl 3-oxo-3-pyridin-4-ylpropanoate

What is the InChIKey of Ethyl isonicotinoylacetate?

InChIKey: PCJNYGPKMQQCPX-UHFFFAOYSA-N

How many hydrogen bond acceptors are there in Ethyl isonicotinoylacetate?

Hydrogen Bond Acceptor Count: 4

What is the topological polar surface area of Ethyl isonicotinoylacetate?

Topological Polar Surface Area: 56.3 Å2

Is the compound canonicalized?

Compound Is Canonicalized: Yes

How many rotatable bond counts are there in Ethyl isonicotinoylacetate?

Rotatable Bond Count: 5

What is the XLogP3 value of Ethyl isonicotinoylacetate?

XLogP3: 0.8

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